manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)

C34H26MnN8 — CID 139153641

IUPACmanganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)
SMILES[Mn+2].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1
InChIInChI=1S/2C17H13N4.Mn/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;/h2*1-13H;/q2*-1;+2/b2*21-20+;
InChIKeyNNWDWHZFNGXXMF-SQMNQOOUSA-N
MW601.58 g/mol
LogP11.67
Rot. Bonds8

About manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)

manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide) (PubChem CID 139153641) has the molecular formula C34H26MnN8 and a molecular weight of 601.58 g/mol. Its IUPAC name is manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide).

Molecular Properties

Compound Namemanganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)
PubChem CID139153641
Molecular FormulaC34H26MnN8
Molecular Weight601.58 g/mol
Exact Mass601.17
IUPAC Namemanganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)
SMILES[Mn+2].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1
InChIInChI=1S/2C17H13N4.Mn/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;/h2*1-13H;/q2*-1;+2/b2*21-20+;
InChIKeyNNWDWHZFNGXXMF-SQMNQOOUSA-N
XLogP11.67
TPSA103.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.58
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)?
The IUPAC name of manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide) (CID 139153641) is manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide).
What is the SMILES notation for manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)?
The canonical SMILES for manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide) is [Mn+2].c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.c1ccc([N-]c2ccccc2/N=N/c2ccccn2)cc1.
What is the InChIKey of manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)?
The InChIKey is NNWDWHZFNGXXMF-SQMNQOOUSA-N. The full InChI is InChI=1S/2C17H13N4.Mn/c2*1-2-8-14(9-3-1)19-15-10-4-5-11-16(15)20-21-17-12-6-7-13-18-17;/h2*1-13H;/q2*-1;+2/b2*21-20+;.
What are the key properties of manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide)?
manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide) has a molecular weight of 601.58 g/mol, XLogP of 11.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(phenyl-[2-(pyridin-2-yldiazenyl)phenyl]azanide) is sourced from PubChem (CID 139153641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).